2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide | CAS No. 207399-07-3

2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide

Basic Information

CAS Number

207399-07-3

Molecular Formula

C36H44ClIN2

Molecular Weight

667.1 g/mol

AD

Basic Physical Properties

Melting Point

232-234 °C

Solubility

It is soluble in methanol.

CCCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3Cl)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C.[I-]

InChI

InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1

InChIKey

IRPKBYJYVJOQHQ-UHFFFAOYSA-M

LogP

6.75170

Complexity

990

Synonyms & References

English

  • F9995-0280
  • SCHEMBL1615556
  • C36H44ClIN2
  • 207399-07-3
  • IR-780 (iodide)
  • IR-780 iodide
  • AKOS030231213
  • DTXSID80888762
  • F88617
  • 2-[(1E)-2-[(3E)-2-chloro-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-1-ium iodide
  • 2-((E)-2-((E)-2-chloro-3-(2-((Z)-3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide
  • ir-780 iodide
  • 11-Chloro-1,1'-di-n-propyl-3,3,3',3'-tetramethyl-10,12-trimethyleneindatricarbocyanine iodide
  • 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE
  • 11-CHLORO-1,1''-DIPROPYL-3,3,3'',3''-TETRAMETHYL-10,12-TRIMETHYLENEINDATRICARBOCYANINE IODIDE
  • IR780
  • 2-(1E)-2-(3E)-2-chloro-3-{2-(2Z)-3,3-dimethyl-1-propyl-2,3-dihydro-1H-indol-2-ylideneethylidene}cyclohex-1-en-1-ylethenyl-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide

MDL Number

MFCD07433665

FAQ

What are the physical and chemical properties of 2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide (CAS: 207399-07-3)?

This compound has a crystalline form and a molecular weight of approximately 629.44 g/mol. It is sparingly soluble in water and polar organic solvents. The compound is reactive towards nucleophiles and can form stable complexes. It has good stability under neutral and slightly acidic conditions.

How is 2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide (CAS: 207399-07-3) typically synthesized?

This compound is usually synthesized via an indolium iodide precursor, followed by the condensation with a vinyl chloride derivative. The reaction is typically catalyzed by a Lewis acid like titanium tetrachloride, with high selectivity and yield of up to 90%.

What industries use 2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide (CAS: 207399-07-3)?

This compound is primarily used in pharmaceuticals for its potential as an anti-inflammatory agent and in sensor applications for its unique reactivity and selectivity. It may also have applications in semiconductors and organic electronics due to its electronic properties.

What precautions should be taken when handling 2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide (CAS: 207399-07-3)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a fume hood and avoid contact with skin and eyes. In case of a spill, neutralize the spill with sodium bicarbonate and dispose of the waste according to the Material Safety Data Sheet (MSDS).

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